| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:05 UTC |
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| Update Date | 2025-03-21 18:41:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136531 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C24H38N5O9+ |
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| Molecular Mass | 540.2664 |
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| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)cc(C(=O)CC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O |
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| InChI Key | SDODHMVXCHCMGF-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundpolyhalopyridinealpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativesgamma-keto acidpyridineorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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